SCHEMBL4875522

SCHEMBL4875522

COc1cccc(N2CCN(C(C)=Cc3ccccc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
MEN1 O00255 6/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.55
MAPT P10636 4/20 0.52
GAA P10253 3/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 1/20 0.50
ADRB1 P08588 1/20 0.50
ALDH1A1 P00352 2/20 0.49
ACHE P22303 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
PKM P14618 1/20 0.49
DRD2 P14416 1/20 0.49
KCNH2 Q12809 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4865528 0.80 MEN1 (0.47) KMT2AMEN1MAPTGAANPC1
SCHEMBL19212406 0.80 ADRB1 (0.69) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL11074672 0.78 ADRB1 (0.76) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL8321177 0.77 KMT2A (0.63) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL4319359 0.77 KMT2A (0.63) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL7058493 0.76 KMT2A (0.62) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL27739890 0.76 KMT2A (0.65) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL19561830 0.76 ALDH1A1 (0.73) KMT2ACYP3A4CYP1A2MAPTPOLB
Hydrochloric Acid SCHEMBL27918226 0.75 KMT2A (0.63) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL7498216 0.74 ADRB1 (0.61) KMT2AMEN1CYP3A4CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323478-B2 Melanin concentrating hormone receptor ligands NEUROGEN CORPORATION (US) 2008-01-29 US claimed
US-20040229883-A1 Melanin concentrating hormone receptor ligands BAKTHAVATCHALAM RAJAGOPAL (US) 2004-11-18 US claimed
US-20030191136-A1 Melanin concentrating hormone receptor ligands NEUROGEN CORPORATION 2003-10-09 US claimed
US-20020052383-A1 Melanin concentrating hormone receptor ligands NEUROGEN CORPORATION 2002-05-02 US claimed
US-7323478-B2 Melanin concentrating hormone receptor ligands NEUROGEN CORPORATION (US) 2008-01-29 US disclosed
US-20040229883-A1 Melanin concentrating hormone receptor ligands BAKTHAVATCHALAM RAJAGOPAL (US) 2004-11-18 US disclosed
US-6753336-B2 EATING DISORDERS; SEXUAL DISORDERS NEUROGEN CORPORATION 2004-06-22 US disclosed
US-20030191136-A1 Melanin concentrating hormone receptor ligands NEUROGEN CORPORATION 2003-10-09 US disclosed
US-6569861-B2 Phenylcycloalkylmethylamino and phenylalkenylamino derivatives, including 1-phenyl-2-aminomethylcyclopropanes; treatment of a variety of metabolic, feeding, and sexual disorders including obesity. NEUROGEN CORPORATION 2003-05-27 US disclosed
US-20020052383-A1 Melanin concentrating hormone receptor ligands NEUROGEN CORPORATION 2002-05-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040229883-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 KMT2A 1995/4885MEN1 705/4885CYP3A4 1289/4885
US-20020052383-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 KMT2A 2135/4885MEN1 805/4885CYP3A4 1484/4885
US-20030191136-A1 Melanin concentrating hormone receptor ligands MCHR1, NPY1R, MCHR2 KMT2A 1995/4885MEN1 705/4885CYP3A4 1289/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.